5-dimethylsilyl-3-hydroxypent-4-ynenitrile

C7H11NOSi — CID 174331127

IUPAC5-dimethylsilyl-3-hydroxypent-4-ynenitrile
SMILESC[SiH](C)C#CC(O)CC#N
InChIInChI=1S/C7H11NOSi/c1-10(2)6-4-7(9)3-5-8/h7,9-10H,3H2,1-2H3
InChIKeyLYCMTPPTEDNWCI-UHFFFAOYSA-N
MW153.26 g/mol
LogP0.29
Rot. Bonds1

About 5-dimethylsilyl-3-hydroxypent-4-ynenitrile

5-dimethylsilyl-3-hydroxypent-4-ynenitrile (PubChem CID 174331127) has the molecular formula C7H11NOSi and a molecular weight of 153.26 g/mol. Its IUPAC name is 5-dimethylsilyl-3-hydroxypent-4-ynenitrile.

Molecular Properties

Compound Name5-dimethylsilyl-3-hydroxypent-4-ynenitrile
PubChem CID174331127
Molecular FormulaC7H11NOSi
Molecular Weight153.26 g/mol
Exact Mass153.06
IUPAC Name5-dimethylsilyl-3-hydroxypent-4-ynenitrile
SMILESC[SiH](C)C#CC(O)CC#N
InChIInChI=1S/C7H11NOSi/c1-10(2)6-4-7(9)3-5-8/h7,9-10H,3H2,1-2H3
InChIKeyLYCMTPPTEDNWCI-UHFFFAOYSA-N
XLogP0.29
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-dimethylsilyl-3-hydroxypent-4-ynenitrile?
The IUPAC name of 5-dimethylsilyl-3-hydroxypent-4-ynenitrile (CID 174331127) is 5-dimethylsilyl-3-hydroxypent-4-ynenitrile.
What is the SMILES notation for 5-dimethylsilyl-3-hydroxypent-4-ynenitrile?
The canonical SMILES for 5-dimethylsilyl-3-hydroxypent-4-ynenitrile is C[SiH](C)C#CC(O)CC#N.
What is the InChIKey of 5-dimethylsilyl-3-hydroxypent-4-ynenitrile?
The InChIKey is LYCMTPPTEDNWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOSi/c1-10(2)6-4-7(9)3-5-8/h7,9-10H,3H2,1-2H3.
What are the key properties of 5-dimethylsilyl-3-hydroxypent-4-ynenitrile?
5-dimethylsilyl-3-hydroxypent-4-ynenitrile has a molecular weight of 153.26 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylsilyl-3-hydroxypent-4-ynenitrile is sourced from PubChem (CID 174331127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).